SCHEMBL30625720

SCHEMBL30625720

CCOc1ncc(CNC(=O)OC(C)(C)C)cc1F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
DYRK1A Q13627 1/20 0.41
KLKB1 P03952 1/20 0.40
GRM2 Q14416 1/20 0.39
CYP3A4 P08684 1/20 0.39
CHRM4 P08173 1/20 0.38
KDM4A O75164 1/20 0.38
CACNA1H O95180 1/20 0.37
CACNA1B Q00975 1/20 0.37
CACNA1C Q13936 1/20 0.37
MAPK1 P28482 1/20 0.37
BRD4 O60885 1/20 0.37
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
HDAC1 Q13547 1/20 0.36
SYK P43405 1/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31087477 1.00 NAMPT (0.42) NAMPTL3MBTL1DYRK1AKLKB1GRM2
SCHEMBL30625715 0.89 CHRM4 (0.48) NAMPTL3MBTL1DYRK1AGRM2CYP3A4
SCHEMBL10264167 0.89 CHRM4 (0.48) NAMPTL3MBTL1DYRK1AGRM2CYP3A4
SCHEMBL30625719 0.86 ACACB (0.43) NAMPTL3MBTL1DYRK1A
SCHEMBL30625718 0.85 NAMPT (0.43) NAMPTL3MBTL1DYRK1AGRM2CYP3A4
SCHEMBL26602958 0.83 CHRM4 (0.43) NAMPTKLKB1CHRM4MAPK1
SCHEMBL5018970 0.82 L3MBTL1 (0.43) NAMPTL3MBTL1GRM2CYP3A4KDM4A
SCHEMBL14923665 0.80 SYK (0.47) NAMPTSYK
SCHEMBL18854481 0.77 EPAS1 (0.43) NAMPTL3MBTL1DYRK1AGRM2KDM4A
SCHEMBL28394419 0.76 AAK1 (0.47) NAMPTL3MBTL1DYRK1AGRM2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250084036-A1 COMPOUND, ALDEHYDE DEHYDROGENASE 2 ACTIVATOR, PHARMACEUTICAL COMPOSITION, AND THERAPEUTIC AND/OR PROPHYLACTIC DRUG ALCHEMEDICINE, INC. (JP) 2025-03-13 US disclosed
EP-4512468-A1 COMPOUND, ALDEHYDE DEHYDROGENASE 2 ACTIVATOR, PHARMACEUTICAL COMPOSITION, AND TREATMENT AND/OR PREVENTATIVE DRUG Alchemedicine, Inc. (JP) 2025-02-26 EP disclosed
WO-2023204292-A1 COMPOUND, ALDEHYDE DEHYDROGENASE 2 ACTIVATOR, PHARMACEUTICAL COMPOSITION, AND TREATMENT AND/OR PREVENTATIVE DRUG 株式会社アークメディスン 2023-10-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20250084036-A1 COMPOUND, ALDEHYDE DEHYDROGENASE 2 ACTIVATOR, PHARMACEUTICAL COMPOSITION, AND THERAPEUTIC AND/OR PROPHYLACTIC DRUG ALDH3A1, ALDH2, ALDH1A1 NAMPT 984/4885L3MBTL1 1609/4885DYRK1A 4392/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.